Geometry & MOs

Info

ID:	51672
PubChem CID:	12014381
Reduced:	NOH25C26 (1)
Stoich.:	ABC25D26 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	31.11
Dipole, Da:	3.4
IP(EA), eV:	-8.84(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1C2C(CN1[C@@H](CO)C3=CC=CC=C3)C4C5=CC=CC=C5C2C6=CC=CC=C46

DOS

IR

Vibrations